SCHEMBL3352449

SCHEMBL3352449

Cc1nc2ccc(Br)cn2c1-c1csc(C2(c3ccc(C(=O)NO)cc3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.41
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
HDAC6 Q9UBN7 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
EPHB3 P54753 1/20 0.37
GAA P10253 1/20 0.36
GABRD O14764 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRA4 P48169 1/20 0.36
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3351453 0.96 HDAC1 (0.40) HDAC1AKT1AKT2HDAC6HDAC7
SCHEMBL197802 0.94 HDAC1 (0.39) HDAC1AKT1AKT2HDAC6HDAC7
SCHEMBL3351547 0.90 ALDH1A1 (0.41) HDAC1AKT1AKT2HDAC6HDAC7
SCHEMBL3350978 0.88 GABRD (0.37) HDAC1AKT1AKT2HDAC6HDAC7
SCHEMBL3352693 0.88 CA1 (0.38) HDAC1AKT1AKT2HDAC6HDAC7
SCHEMBL3352603 0.88 HDAC1 (0.58) HDAC1HDAC8EPHB3GABRDGABRB1
SCHEMBL3350568 0.86 ALDH1A1 (0.39) HDAC1AKT1AKT2HDAC6HDAC7
SCHEMBL197109 0.86 CDK2 (0.47) HDAC1HDAC6HDAC7HDAC8HDAC4
SCHEMBL3352082 0.85 MKNK1 (0.43) HDAC1AKT1AKT2HDAC6HDAC7
SCHEMBL3353149 0.85 HDAC1 (0.38) HDAC1AKT1AKT2HDAC6HDAC7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US claimed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC1 1/4885AKT1 1338/4885AKT2 981/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.